BDBM50259605 CHEMBL4090150

SMILES: Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12

InChI Key: InChIKey=UPYDTRMWIMLIRN-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50259605   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50259605 (CHEMBL4090150) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12 Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259605 (CHEMBL4090150) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12 Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50259605 (CHEMBL4090150) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12 Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50259605 (CHEMBL4090150) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12 Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair